K014-0003 Screening compound: (3E)-5-bromo-3-({4'-octyl-[1,1'-biphenyl]-4-yl}imino)-2,3-dihydro-1H-indol-2-one

K014-0003 Screening compound: (3E)-5-bromo-3-({4'-octyl-[1,1'-biphenyl]-4-yl}imino)-2,3-dihydro-1H-indol-2-one
K014-0003 Screening compound: (3E)-5-bromo-3-({4'-octyl-[1,1'-biphenyl]-4-yl}imino)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K014-0003
(3E)-5-bromo-3-({4'-octyl-[1,1'-biphenyl]-4-yl}imino)-2,3-dihydro-1H-indol-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K014-0003

Molecular Formula

C28H29BrN2O (C28 H29 BrN2 O)

Compound Name

(3E)-5-bromo-3-({4'-octyl-[1,1'-biphenyl]-4-yl}imino)-2,3-dihydro-1H-indol-2-one

IUPAC name

(3E)-5-bromo-3-({4'-octyl-[11'-biphenyl]-4-yl}imino)-23-dihydro-1H-indol-2-one

SMILES

CCCCCCCCc(cc1)ccc1-c(cc1)ccc1/N=C(\c(cc(cc1)Br)c1N1)/C1=O

InChI

InChI=1S/C28H29BrN2O/c1-2-3-4-5-6-7-8-20-9-11-21(12-10-20)22-13-16-24(17-14-22)30-27-25-19-23(29)15-18-26(25)31-28(27)32/h9-19H,2-8H2,1H3,(H,30,31,32)

InChI Key

IPRIFJUXVWEOBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

9.207

Distribution Coefficient, logD

9.207

Water Solubility, LogSw

-5.71

Polar Surface Area

31.946

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K014-0003 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K014-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K014-0003?
Check Price and Availability of K014-0003, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K014-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K014-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K014-0003
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K014-0003 available by request